5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid

C20H28O6 — CID 159760360

IUPAC5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=CCC(OC1=CCCC1)OC1=CCCC1)C(=O)O
InChIInChI=1S/C16H22O4.C4H6O2/c1-12(16(17)18)10-11-15(19-13-6-2-3-7-13)20-14-8-4-5-9-14;1-3(2)4(5)6/h6,8,10,15H,2-5,7,9,11H2,1H3,(H,17,18);1H2,2H3,(H,5,6)
InChIKeyNEUJESNHGVQBKW-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.55
Rot. Bonds8

About 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid

5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid (PubChem CID 159760360) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
PubChem CID159760360
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=CCC(OC1=CCCC1)OC1=CCCC1)C(=O)O
InChIInChI=1S/C16H22O4.C4H6O2/c1-12(16(17)18)10-11-15(19-13-6-2-3-7-13)20-14-8-4-5-9-14;1-3(2)4(5)6/h6,8,10,15H,2-5,7,9,11H2,1H3,(H,17,18);1H2,2H3,(H,5,6)
InChIKeyNEUJESNHGVQBKW-UHFFFAOYSA-N
XLogP4.55
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid (CID 159760360) is 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(=CCC(OC1=CCCC1)OC1=CCCC1)C(=O)O.
What is the InChIKey of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid?
The InChIKey is NEUJESNHGVQBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.C4H6O2/c1-12(16(17)18)10-11-15(19-13-6-2-3-7-13)20-14-8-4-5-9-14;1-3(2)4(5)6/h6,8,10,15H,2-5,7,9,11H2,1H3,(H,17,18);1H2,2H3,(H,5,6).
What are the key properties of 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid?
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid has a molecular weight of 364.44 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 159760360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).